| PDB CCD ID: | MTP |
| Number of entries in BioLiP: | 10 |
| Chemical formula: | C11 H14 N4 O4 S |
| InChI: | InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
| InChIKey: | ZDRFDHHANOYUTE-IOSLPCCCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CSc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O | | ACDLabs 10.04 | n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO | | OpenEye OEToolkits 1.5.0 | CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | | OpenEye OEToolkits 1.5.0 | CSc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O | | CACTVS 3.341 | CSc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
|
| Name: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL;
9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE |
| ChEMBL: | CHEMBL388931 |
| DrugBank: | DB02896 |
| ZINC: | ZINC000000519128 |
umich.edu